1-phenyl-3-[(1S,5R)-9-propyl-9-azoniabicyclo[3.3.1]nonan-3-yl]thiourea

Systemtic Name: 1-phenyl-3-[(1S,5R)-9-propyl-9-azoniabicyclo[3.3.1]nonan-3-yl]thiourea Openeye Name: 1-phenyl-3-[(1S,5R)-9-propyl-9-azoniabicyclo[3.3.1]nonan-3-yl]thiourea CAS Name: 1-phenyl-3-[(1S,5R)-9-propyl-9-azoniabicyclo[3.3.1]nonan-3-yl]thiourea IUPAC Name: 1-phenyl-3-[(1S,5R)-9-propyl-9-azoniabicyclo[3.3.1]nonan-3-yl]thiourea Traditional Name: 1-phenyl-3-[(1S,5R)-9-propyl-9-azoniabicyclo[3.3.1]nonan-3-yl]thiourea Formula: C18H28N3S+ MolecularWeight: 318.50002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1C2CCCC1CC(C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCC[NH+]1[C@@H]2CCC[C@H]1CC(C2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C18H27N3S/c1-2-11-21-16-9-6-10-17(21)13-15(12-16)20-18(22)19-14-7-4-3-5-8-14/h3-5,7-8,15-17H,2,6,9-13H2,1H3,(H2,19,20,22)/p+1/t15?,16-,17+